Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | LDHA | P00338 | 1/20 | 0.49 |
| ▸ | LDHB | P07195 | 1/20 | 0.49 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 6/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5737282 | 0.85 | KDM4E (0.56) | ALDH1A1KDM4ELMNALDHALDHB | |
| SCHEMBL4704691 | 0.81 | LDHA (0.64) | ALDH1A1KDM4ELMNALDHALDHB | |
| SCHEMBL7328830 | 0.80 | PDE4A (0.50) | ALDH1A1KDM4ELMNALDHALDHB | |
| SCHEMBL7832864 | 0.78 | KDM4E (0.45) | ALDH1A1KDM4ELMNATDP1NPC1 | |
| SCHEMBL2319080 | 0.77 | KDM4E (0.60) | ALDH1A1KDM4ELMNALDHALDHB | |
| SCHEMBL2321202 | 0.77 | KDM4E (0.58) | ALDH1A1KDM4ELMNALDHALDHB | |
| SCHEMBL396870 | 0.76 | ALDH1A1 (0.80) | ALDH1A1KDM4ELMNALDHALDHB | |
| SCHEMBL6589648 | 0.76 | MAPT (0.59) | ALDH1A1KDM4ELMNALDHALDHB | |
| SCHEMBL397009 | 0.75 | KDM4E (0.67) | ALDH1A1KDM4ELMNALDHALDHB | |
| SCHEMBL2318474 | 0.75 | KDM4E (0.67) | ALDH1A1KDM4ELMNALDHALDHB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0799226-B1 | TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2001-02-07 | — | — | EP | disclosed |
| US-5972951-A | Tetracyclic spiro compounds, process for their preparation and their use as 5HT1D receptor antagonists | SMITHKLINE BEECHAM PLC (GB) | 1999-10-26 | — | — | US | disclosed |
| WO-1996019477-A1 | TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-06-27 | — | — | WO | disclosed |